CAS RN: 99514-99-5
5-bromo-3-phenyl Salicylic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250228 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99514-99-5
- Purity/Analytical Methods: >99.0%
99514-99-5 / 5-bromo-2-hydroxy-3-phenylbenzoic acid
Basic Information
CAS
99514-99-5
Multi CAS
No
Molecular Formula
C13H9BRO3
Molecular Weight
293.110000
Exact Mass
291.973510
InChI
InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
InChIKey
HUQWWRUNBHYQLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.2
TPSA
57.53
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
4
Consensus LogP
3.54
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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